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Chemical ID: 3948660
Chemical ID:
3948660
Name [?]:
methyl 4-[2-[4-(4-fluorobenzoyl)-1-piperidyl]acetyl]aminobenzoate
SMILES [?]:
COC(=O)c1ccc(cc1)NC(=O)CN2CCC(CC2)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C22H23FN2O4/c1-29-22(28)17-4-8-19(9-5-17)24-20(26)14-25-12-10-16(11-13-25)21(27)15-2-6-18(23)7-3-15/h2-9,16H,10-14H2,1H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,24,28,6,10,25,27,7,9,17,19,16,20,14,23,18,5,26,8,12,21,3,29,11,15,13,22,4,2/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:29nCOCOCCCCCCNCOCNCCCCCCOCCCCCCF/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;s17;s18;s15s19;s18;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23FN2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.58112 |
Area: | 628.001 |
Solvation: | -6.11891 |
Coulombic: | -56.0714 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 398.427 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.76 |
LogP (Chemaxon): | 2.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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